SCHEMBL7290528

SCHEMBL7290528

Cc1cc(=O)[nH]nc1-c1ccc(-n2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 7/20 1.00
▸ PDE3A Q14432 7/20 1.00
▸ PDE2A O00408 2/20 0.52
▸ ADH5 P11766 7/20 0.49
▸ ROCK1 Q13464 1/20 0.47
▸ PDE1A P54750 1/20 0.47
▸ PDE1B Q01064 1/20 0.47
▸ PDE1C Q14123 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TNIK Q9UKE5 1/20 0.46
▸ PDE4A P27815 2/20 0.45
▸ PDE4B Q07343 2/20 0.45
▸ PDE4C Q08493 2/20 0.45
▸ PDE4D Q08499 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10551346 0.83 PDE3B (0.70) PDE3BPDE3APDE2AADH5ROCK1
SCHEMBL10353678 0.80 PDE3B (0.63) PDE3BPDE3AROCK1TSHRMEN1
SCHEMBL10649130 0.79 PDE3B (0.65) PDE3BPDE3APDE2AADH5PDE1A
SCHEMBL10645524 0.76 PDE3B (0.61) PDE3BPDE3APDE2AADH5ROCK1
SCHEMBL7280366 0.75 PDE3B (1.00) PDE3BPDE3APDE2AADH5TSHR
SCHEMBL10149837 0.75 ROCK1 (0.76) PDE3BPDE3APDE2AROCK1TSHR
SCHEMBL10592873 0.73 PDE3B (0.57) PDE3BPDE3APDE2AROCK1TSHR
SCHEMBL11101040 0.73 PDE3B (0.57) PDE3BPDE3AADH5TSHRMEN1
SCHEMBL5280816 0.73 PDE3B (0.57) PDE3BPDE3AROCK1TSHRMEN1
SCHEMBL10480619 0.73 ROCK1 (0.60) PDE3BPDE3APDE2AADH5ROCK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 — — EP claimed
US-4734415-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1988-03-29 — — US disclosed
EP-0122419-A2 Substituted 3-mercaptopyridazines, their 3-alkylthio derivatives and processes for their preparation A. Nattermann & Cie. GmbH (DE) 1984-10-24 — — EP disclosed
EP-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 — — EP disclosed
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